methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate

C8H18N2O4S — CID 55028428

IUPACmethyl 4-[dimethylsulfamoyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C8H18N2O4S/c1-9(2)15(12,13)10(3)7-5-6-8(11)14-4/h5-7H2,1-4H3
InChIKeyOQIHOUHTBFJWRC-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.32
Rot. Bonds6

About methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate

methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate (PubChem CID 55028428) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[dimethylsulfamoyl(methyl)amino]butanoate
PubChem CID55028428
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Namemethyl 4-[dimethylsulfamoyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C8H18N2O4S/c1-9(2)15(12,13)10(3)7-5-6-8(11)14-4/h5-7H2,1-4H3
InChIKeyOQIHOUHTBFJWRC-UHFFFAOYSA-N
XLogP-0.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate (CID 55028428) is methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate is COC(=O)CCCN(C)S(=O)(=O)N(C)C.
What is the InChIKey of methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate?
The InChIKey is OQIHOUHTBFJWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-9(2)15(12,13)10(3)7-5-6-8(11)14-4/h5-7H2,1-4H3.
What are the key properties of methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate?
methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate has a molecular weight of 238.31 g/mol, XLogP of -0.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[dimethylsulfamoyl(methyl)amino]butanoate is sourced from PubChem (CID 55028428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).